# generated using pymatgen
data_Li4Ca(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50884600
_cell_length_b   8.14579600
_cell_length_c   9.32077100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ca(BO3)2
_chemical_formula_sum   'Li8 Ca2 B4 O12'
_cell_volume   266.40948038
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.00000000  0.48758800  0.19778300  1
  Li  Li1  1  0.00000000  0.51241200  0.80221700  1
  Li  Li2  1  0.50000000  0.01241200  0.69778300  1
  Li  Li3  1  0.50000000  0.98758800  0.30221700  1
  Li  Li4  1  0.50000000  0.66904800  0.95096800  1
  Li  Li5  1  0.50000000  0.33095200  0.04903200  1
  Li  Li6  1  0.00000000  0.83095200  0.45096800  1
  Li  Li7  1  0.00000000  0.16904800  0.54903200  1
  Ca  Ca8  1  0.50000000  0.50000000  0.50000000  1
  Ca  Ca9  1  0.00000000  0.00000000  0.00000000  1
  B  B10  1  0.50000000  0.72828500  0.20929900  1
  B  B11  1  0.50000000  0.27171500  0.79070100  1
  B  B12  1  0.00000000  0.77171500  0.70929900  1
  B  B13  1  0.00000000  0.22828500  0.29070100  1
  O  O14  1  0.50000000  0.75239300  0.35740800  1
  O  O15  1  0.50000000  0.24760700  0.64259200  1
  O  O16  1  0.00000000  0.74760700  0.85740800  1
  O  O17  1  0.00000000  0.25239300  0.14259200  1
  O  O18  1  0.50000000  0.57298900  0.14908100  1
  O  O19  1  0.50000000  0.42701100  0.85092000  1
  O  O20  1  0.00000000  0.92701100  0.64908000  1
  O  O21  1  0.00000000  0.07298900  0.35091900  1
  O  O22  1  0.00000000  0.36547600  0.38090700  1
  O  O23  1  0.00000000  0.63452400  0.61909300  1
  O  O24  1  0.50000000  0.13452400  0.88090700  1
  O  O25  1  0.50000000  0.86547600  0.11909300  1
